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A1H9K

Summary
Name:cyclopropylcholine
Synonyms:cyclopropyl-(2-hydroxyethyl)-dimethyl-azanium
N-(2-hydroxyethyl)-N,N-dimethylcyclopropanaminium
Formula:C7 H16 N O
Formal charge:1
Formula weight:130.208 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7cyclopropyl-(2-hydroxyethyl)-dimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C7H16NO/c1-8(2,5-6-9)7-3-4-7/h7,9H,3-6H2,1-2H3/q+1
InChIKeyInChI1.06BVCAJCAPSNWOCO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[N+](C)(CCO)C1CC1
SMILESCACTVS3.385C[N+](C)(CCO)C1CC1
SMILES_CANONICALOpenEye OEToolkits2.0.7C[N+](C)(CCO)C1CC1
SMILESOpenEye OEToolkits2.0.7C[N+](C)(CCO)C1CC1

224572

数据于2024-09-04公开中

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